N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide

C210H194N50O18 — CID 160824228

IUPACN-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Cc1ccc(-c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)cc1.C=CC(=O)Cc1cccc(-c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)c1.C=CC(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)CC1.C=CC(=O)N1CCC(c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)CC1.C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)N1CCCC(NC(=O)c2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)N1CCCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)C1.C=CC(=O)N1CCCC(c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)C1
InChIInChI=1S/2C28H22N6O2.4C26H25N7O2.2C25H25N5O3/c1-2-24(35)15-19-6-3-7-20(14-19)27-18-34(33-32-27)23-9-4-8-22(16-23)30-28(36)26-11-5-10-25(31-26)21-12-13-29-17-21;1-2-23(35)17-19-8-10-20(11-9-19)27-18-34(33-32-27)22-14-12-21(13-15-22)30-28(36)26-6-3-5-25(31-26)24-7-4-16-29-24;1-2-25(34)32-15-5-6-18(16-32)24-17-33(31-30-24)20-12-10-19(11-13-20)28-26(35)23-8-3-7-22(29-23)21-9-4-14-27-21;1-2-25(34)32-13-5-6-19(16-32)24-17-33(31-30-24)21-8-3-7-20(14-21)28-26(35)23-10-4-9-22(29-23)18-11-12-27-15-18;1-2-25(34)32-15-12-18(13-16-32)24-17-33(31-30-24)20-10-8-19(9-11-20)28-26(35)23-6-3-5-22(29-23)21-7-4-14-27-21;1-2-25(34)32-13-10-18(11-14-32)24-17-33(31-30-24)21-6-3-5-20(15-21)28-26(35)23-8-4-7-22(29-23)19-9-12-27-16-19;1-2-23(31)30-14-4-5-18(16-30)24(32)27-19-8-10-20(11-9-19)28-25(33)22-7-3-6-21(29-22)17-12-13-26-15-17;1-2-23(31)30-14-4-5-20(16-30)28-24(32)17-8-10-19(11-9-17)27-25(33)22-7-3-6-21(29-22)18-12-13-26-15-18/h2-14,16,18H,1,15,17H2,(H,30,36);2-16,18,29H,1,17H2,(H,30,36);2-4,7-14,17-18,27H,1,5-6,15-16H2,(H,28,35);2-4,7-12,14,17,19H,1,5-6,13,15-16H2,(H,28,35);2-11,14,17-18,27H,1,12-13,15-16H2,(H,28,35);2-9,12,15,17-18H,1,10-11,13-14,16H2,(H,28,35);2-3,6-13,18H,1,4-5,14-16H2,(H,27,32)(H,28,33);2-3,6-13,20H,1,4-5,14-16H2,(H,27,33)(H,28,32)
InChIKeySFYIQCUQJAJFBD-UHFFFAOYSA-N
MW3706.19 g/mol
LogP29.25
Rot. Bonds52

About N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide

N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide (PubChem CID 160824228) has the molecular formula C210H194N50O18 and a molecular weight of 3706.19 g/mol. Its IUPAC name is N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide
PubChem CID160824228
Molecular FormulaC210H194N50O18
Molecular Weight3706.19 g/mol
Exact Mass3703.58
IUPAC NameN-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Cc1ccc(-c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)cc1.C=CC(=O)Cc1cccc(-c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)c1.C=CC(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)CC1.C=CC(=O)N1CCC(c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)CC1.C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)N1CCCC(NC(=O)c2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)N1CCCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)C1.C=CC(=O)N1CCCC(c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)C1
InChIInChI=1S/2C28H22N6O2.4C26H25N7O2.2C25H25N5O3/c1-2-24(35)15-19-6-3-7-20(14-19)27-18-34(33-32-27)23-9-4-8-22(16-23)30-28(36)26-11-5-10-25(31-26)21-12-13-29-17-21;1-2-23(35)17-19-8-10-20(11-9-19)27-18-34(33-32-27)22-14-12-21(13-15-22)30-28(36)26-6-3-5-25(31-26)24-7-4-16-29-24;1-2-25(34)32-15-5-6-18(16-32)24-17-33(31-30-24)20-12-10-19(11-13-20)28-26(35)23-8-3-7-22(29-23)21-9-4-14-27-21;1-2-25(34)32-13-5-6-19(16-32)24-17-33(31-30-24)21-8-3-7-20(14-21)28-26(35)23-10-4-9-22(29-23)18-11-12-27-15-18;1-2-25(34)32-15-12-18(13-16-32)24-17-33(31-30-24)20-10-8-19(9-11-20)28-26(35)23-6-3-5-22(29-23)21-7-4-14-27-21;1-2-25(34)32-13-10-18(11-14-32)24-17-33(31-30-24)21-6-3-5-20(15-21)28-26(35)23-8-4-7-22(29-23)19-9-12-27-16-19;1-2-23(31)30-14-4-5-18(16-30)24(32)27-19-8-10-20(11-9-19)28-25(33)22-7-3-6-21(29-22)17-12-13-26-15-17;1-2-23(31)30-14-4-5-20(16-30)28-24(32)17-8-10-19(11-9-17)27-25(33)22-7-3-6-21(29-22)18-12-13-26-15-18/h2-14,16,18H,1,15,17H2,(H,30,36);2-16,18,29H,1,17H2,(H,30,36);2-4,7-14,17-18,27H,1,5-6,15-16H2,(H,28,35);2-4,7-12,14,17,19H,1,5-6,13,15-16H2,(H,28,35);2-11,14,17-18,27H,1,12-13,15-16H2,(H,28,35);2-9,12,15,17-18H,1,10-11,13-14,16H2,(H,28,35);2-3,6-13,18H,1,4-5,14-16H2,(H,27,32)(H,28,33);2-3,6-13,20H,1,4-5,14-16H2,(H,27,33)(H,28,32)
InChIKeySFYIQCUQJAJFBD-UHFFFAOYSA-N
XLogP29.25
TPSA843.55 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds52
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003706.19
LogP ≤ 529.25
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
CID 159869654
N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557540
N-[5-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166761161
N-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
(3S)-N-[4-[amino-[(Z)-2-amino-2-[6-(1H-pyrazol-5-yl)-2-pyridinyl]ethenyl]amino]phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 174163276
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557557
N-[3-[amino-[(Z)-2-amino-2-(1-prop-2-enoylpiperidin-4-yl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 142361941
N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
CID 142361942
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
[3-[1-[4-[(6-bromopyridine-2-carbonyl)amino]phenyl]triazol-4-yl]phenyl]carbamic acid
CID 134543890

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide (CID 160824228) is N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide is C=CC(=O)Cc1ccc(-c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)cc1.C=CC(=O)Cc1cccc(-c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)c1.C=CC(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)CC1.C=CC(=O)N1CCC(c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)CC1.C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)N1CCCC(NC(=O)c2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)N1CCCC(c2cn(-c3ccc(NC(=O)c4cccc(-c5ccc[nH]5)n4)cc3)nn2)C1.C=CC(=O)N1CCCC(c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)C1.
What is the InChIKey of N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide?
The InChIKey is SFYIQCUQJAJFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H22N6O2.4C26H25N7O2.2C25H25N5O3/c1-2-24(35)15-19-6-3-7-20(14-19)27-18-34(33-32-27)23-9-4-8-22(16-23)30-28(36)26-11-5-10-25(31-26)21-12-13-29-17-21;1-2-23(35)17-19-8-10-20(11-9-19)27-18-34(33-32-27)22-14-12-21(13-15-22)30-28(36)26-6-3-5-25(31-26)24-7-4-16-29-24;1-2-25(34)32-15-5-6-18(16-32)24-17-33(31-30-24)20-12-10-19(11-13-20)28-26(35)23-8-3-7-22(29-23)21-9-4-14-27-21;1-2-25(34)32-13-5-6-19(16-32)24-17-33(31-30-24)21-8-3-7-20(14-21)28-26(35)23-10-4-9-22(29-23)18-11-12-27-15-18;1-2-25(34)32-15-12-18(13-16-32)24-17-33(31-30-24)20-10-8-19(9-11-20)28-26(35)23-6-3-5-22(29-23)21-7-4-14-27-21;1-2-25(34)32-13-10-18(11-14-32)24-17-33(31-30-24)21-6-3-5-20(15-21)28-26(35)23-8-4-7-22(29-23)19-9-12-27-16-19;1-2-23(31)30-14-4-5-18(16-30)24(32)27-19-8-10-20(11-9-19)28-25(33)22-7-3-6-21(29-22)17-12-13-26-15-17;1-2-23(31)30-14-4-5-20(16-30)28-24(32)17-8-10-19(11-9-17)27-25(33)22-7-3-6-21(29-22)18-12-13-26-15-18/h2-14,16,18H,1,15,17H2,(H,30,36);2-16,18,29H,1,17H2,(H,30,36);2-4,7-14,17-18,27H,1,5-6,15-16H2,(H,28,35);2-4,7-12,14,17,19H,1,5-6,13,15-16H2,(H,28,35);2-11,14,17-18,27H,1,12-13,15-16H2,(H,28,35);2-9,12,15,17-18H,1,10-11,13-14,16H2,(H,28,35);2-3,6-13,18H,1,4-5,14-16H2,(H,27,32)(H,28,33);2-3,6-13,20H,1,4-5,14-16H2,(H,27,33)(H,28,32).
What are the key properties of N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide?
N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide has a molecular weight of 3706.19 g/mol, XLogP of 29.25, 52 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 160824228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).